SCHEMBL7533142

SCHEMBL7533142

O=C(O)CN1CCN(CC2CC(c3ccc(C=NNCCc4ccccc4)cc3)=NO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7527826 0.97 MIF (0.36) MIFITGB3ITGA2BACHEALDH1A1
SCHEMBL7525051 0.91 ATM (0.40) MIFACHEALDH1A1L3MBTL1LMNA
SCHEMBL7525075 0.91 ATM (0.40) MIFACHEALDH1A1L3MBTL1LMNA
SCHEMBL7526466 0.90 ITGB3 (0.35) MIFITGB3ITGA2BALDH1A1LMNA
SCHEMBL7531770 0.90 ITGB3 (0.35) MIFITGB3ITGA2BALDH1A1LMNA
SCHEMBL7534717 0.89 ITGB3 (0.39) MIFITGB3ITGA2BALDH1A1LMNA
SCHEMBL7524949 0.89 ACHE (0.41) MIFITGB3ITGA2BACHEL3MBTL1
SCHEMBL7379179 0.89 MIF (0.40) MIFITGB3ITGA2BACHEHDAC6
SCHEMBL7529810 0.88 ATM (0.40) MIFITGB3ITGA2BLMNAMAPT
SCHEMBL7525003 0.88 ITGB3 (0.35) MIFITGB3ITGA2BL3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB MIF 1918/4885ITGB3 74/4885ITGA2B 41/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.